VTK
vtkVASPAnimationReader.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkVASPAnimationReader.h
5 
6  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7  All rights reserved.
8  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9 
10  This software is distributed WITHOUT ANY WARRANTY; without even
11  the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12  PURPOSE. See the above copyright notice for more information.
13 
14 =========================================================================*/
15 
24 #ifndef vtkVASPAnimationReader_h
25 #define vtkVASPAnimationReader_h
26 
27 #include "vtkDomainsChemistryModule.h" // For export macro
28 #include "vtkMoleculeAlgorithm.h"
29 #include "vtkVector.h" // For vtkVector3f
30 
31 namespace vtksys {
32 class RegularExpression;
33 }
34 
35 class VTKDOMAINSCHEMISTRY_EXPORT vtkVASPAnimationReader:
37 {
38 public:
39  static vtkVASPAnimationReader* New();
41  void PrintSelf(ostream &os, vtkIndent indent) override;
42 
44 
47  vtkSetStringMacro(FileName)
48  vtkGetStringMacro(FileName)
50 
51 protected:
53  ~vtkVASPAnimationReader() override;
54 
55  int RequestData(vtkInformation *request,
56  vtkInformationVector **inInfoVecs,
57  vtkInformationVector *outInfoVec) override;
59  vtkInformationVector **inInfoVecs,
60  vtkInformationVector *outInfoVec) override;
61 
68  bool NextTimeStep(std::istream &in, double &time);
69 
76  size_t SelectTimeStepIndex(vtkInformation *info);
77 
78  bool ReadMolecule(std::istream &in, vtkMolecule *molecule);
79 
80  char *FileName;
81 
82  vtksys::RegularExpression *TimeParser;
83  vtksys::RegularExpression *LatticeParser;
84  vtksys::RegularExpression *AtomCountParser;
85  vtksys::RegularExpression *AtomParser;
86 
87 private:
89  void operator=(const vtkVASPAnimationReader&) = delete;
90 };
91 
92 #endif // vtkVASPAnimationReader_h
Reader for VASP animation files.
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:91
static vtkMoleculeAlgorithm * New()
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
virtual int RequestInformation(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
Superclass for algorithms that operate on vtkMolecules.
vtksys::RegularExpression * LatticeParser
a simple class to control print indentation
Definition: vtkIndent.h:33
vtksys::RegularExpression * AtomCountParser
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
Store zero or more vtkInformation instances.
vtksys::RegularExpression * AtomParser
vtksys::RegularExpression * TimeParser